9-[4-[6-(4-carbazol-9-ylphenyl)anthracen-2-yl]phenyl]carbazole

C50H32N2 — CID 58690855

IUPAC9-[4-[6-(4-carbazol-9-ylphenyl)anthracen-2-yl]phenyl]carbazole
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc3cc4cc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)ccc4cc3c2)cc1
InChIInChI=1S/C50H32N2/c1-5-13-47-43(9-1)44-10-2-6-14-48(44)51(47)41-25-21-33(22-26-41)35-17-19-37-32-40-30-36(18-20-38(40)31-39(37)29-35)34-23-27-42(28-24-34)52-49-15-7-3-11-45(49)46-12-4-8-16-50(46)52/h1-32H
InChIKeyKFGXQEQBZSSHCW-UHFFFAOYSA-N
MW660.82 g/mol
LogP13.52
Rot. Bonds4

About 9-[4-[6-(4-carbazol-9-ylphenyl)anthracen-2-yl]phenyl]carbazole

9-[4-[6-(4-carbazol-9-ylphenyl)anthracen-2-yl]phenyl]carbazole (PubChem CID 58690855) has the molecular formula C50H32N2 and a molecular weight of 660.82 g/mol. Its IUPAC name is 9-[4-[6-(4-carbazol-9-ylphenyl)anthracen-2-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[6-(4-carbazol-9-ylphenyl)anthracen-2-yl]phenyl]carbazole
PubChem CID58690855
Molecular FormulaC50H32N2
Molecular Weight660.82 g/mol
Exact Mass660.26
IUPAC Name9-[4-[6-(4-carbazol-9-ylphenyl)anthracen-2-yl]phenyl]carbazole
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc3cc4cc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)ccc4cc3c2)cc1
InChIInChI=1S/C50H32N2/c1-5-13-47-43(9-1)44-10-2-6-14-48(44)51(47)41-25-21-33(22-26-41)35-17-19-37-32-40-30-36(18-20-38(40)31-39(37)29-35)34-23-27-42(28-24-34)52-49-15-7-3-11-45(49)46-12-4-8-16-50(46)52/h1-32H
InChIKeyKFGXQEQBZSSHCW-UHFFFAOYSA-N
XLogP13.52
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.82
LogP ≤ 513.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9-[4-[6-[6-(4-carbazol-9-ylphenyl)naphthalen-2-yl]naphthalen-2-yl]phenyl]carbazole
CID 58971525
9-[4-(6-phenylnaphthalen-2-yl)phenyl]carbazole
CID 58971457
6-(4-carbazol-9-ylphenyl)naphthalen-2-ol
CID 58460617
3-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 118231204
9-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041201
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 135323607
N-(4-carbazol-9-ylphenyl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 146580367
3-(9-phenylcarbazol-3-yl)-9-(6-phenylnaphthalen-2-yl)carbazole
CID 118581886
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 146579381
9-[4-[6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-2-yl]phenyl]carbazole
CID 58971465
9-(4-pyren-2-ylphenyl)carbazole
CID 58273485
3-[4-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole
CID 126764142

Frequently Asked Questions

What is the IUPAC name of 9-[4-[6-(4-carbazol-9-ylphenyl)anthracen-2-yl]phenyl]carbazole?
The IUPAC name of 9-[4-[6-(4-carbazol-9-ylphenyl)anthracen-2-yl]phenyl]carbazole (CID 58690855) is 9-[4-[6-(4-carbazol-9-ylphenyl)anthracen-2-yl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[6-(4-carbazol-9-ylphenyl)anthracen-2-yl]phenyl]carbazole?
The canonical SMILES for 9-[4-[6-(4-carbazol-9-ylphenyl)anthracen-2-yl]phenyl]carbazole is c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc3cc4cc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)ccc4cc3c2)cc1.
What is the InChIKey of 9-[4-[6-(4-carbazol-9-ylphenyl)anthracen-2-yl]phenyl]carbazole?
The InChIKey is KFGXQEQBZSSHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N2/c1-5-13-47-43(9-1)44-10-2-6-14-48(44)51(47)41-25-21-33(22-26-41)35-17-19-37-32-40-30-36(18-20-38(40)31-39(37)29-35)34-23-27-42(28-24-34)52-49-15-7-3-11-45(49)46-12-4-8-16-50(46)52/h1-32H.
What are the key properties of 9-[4-[6-(4-carbazol-9-ylphenyl)anthracen-2-yl]phenyl]carbazole?
9-[4-[6-(4-carbazol-9-ylphenyl)anthracen-2-yl]phenyl]carbazole has a molecular weight of 660.82 g/mol, XLogP of 13.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[6-(4-carbazol-9-ylphenyl)anthracen-2-yl]phenyl]carbazole is sourced from PubChem (CID 58690855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).